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CHEBI:189385 - 15-Hydroxy-5'-O-methylmelledonal

ChEBI IDCHEBI:189385
ChEBI Name15-Hydroxy-5'-O-methylmelledonal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O9
Net Charge0
Average Mass462.495
Monoisotopic Mass462.18898
SMILES[H][C@]12[C@@H](O)[C@](C)(CO)C[C@@]1(O)C=C(C=O)[C@]1(O)[C@H](OC(=O)c3c(C)cc(OC)cc3O)C[C@]21C
InChIInChI=1S/C24H30O9/c1-12-5-14(32-4)6-15(27)17(12)20(29)33-16-8-22(3)18-19(28)21(2,11-26)10-23(18,30)7-13(9-25)24(16,22)31/h5-7,9,16,18-19,26-28,30-31H,8,10-11H2,1-4H3/t16-,18-,19-,21+,22-,23+,24+/m1/s1
InChIKeyGEZFFZYSQRTAPC-GGZHTDBESA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
15-Hydroxy-5'-O-methylmelledonal (CHEBI:189385) is a benzoate ester (CHEBI:36054)
15-Hydroxy-5'-O-methylmelledonal (CHEBI:189385) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aR,6S,7R,7aS,7bR)-3-ormyl-2a,4a,7-trihydroxy-6-(hydroxymethyl)-6,7b-dimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
Manual XrefsDatabases
35014037ChemSpider